2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide

C19H21ClN2O4S2 — CID 16545860

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O4S2/c1-14-2-7-17(28(24,25)22-8-10-26-11-9-22)12-18(14)21-19(23)13-27-16-5-3-15(20)4-6-16/h2-7,12H,8-11,13H2,1H3,(H,21,23)
InChIKeyMFNZVTGRDAFFEW-UHFFFAOYSA-N
MW440.97 g/mol
LogP3.40
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 16545860) has the molecular formula C19H21ClN2O4S2 and a molecular weight of 440.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID16545860
Molecular FormulaC19H21ClN2O4S2
Molecular Weight440.97 g/mol
Exact Mass440.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O4S2/c1-14-2-7-17(28(24,25)22-8-10-26-11-9-22)12-18(14)21-19(23)13-27-16-5-3-15(20)4-6-16/h2-7,12H,8-11,13H2,1H3,(H,21,23)
InChIKeyMFNZVTGRDAFFEW-UHFFFAOYSA-N
XLogP3.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.97
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)sulfanyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4789030
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide
CID 5021320
2-[(4-methylphenyl)thio]-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide
CID 2948127
3-(benzenesulfonyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 4966347
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6165151
[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 16496008
N-(4-Chloro-2-methylphenyl)-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-YL]acetamide
CID 20903151
[2-(2-Chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-(benzenesulfonyl)propanoate
CID 24980391
[2-[5-(Dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-phenylsulfanylacetate
CID 24981951
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide
CID 3928825
2-[(2,4-dichlorophenyl)methylamino]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4233114
2-(2,5-dimethylphenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4827663

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide (CID 16545860) is 2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is MFNZVTGRDAFFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S2/c1-14-2-7-17(28(24,25)22-8-10-26-11-9-22)12-18(14)21-19(23)13-27-16-5-3-15(20)4-6-16/h2-7,12H,8-11,13H2,1H3,(H,21,23).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 440.97 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 16545860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).